About: Ab initio simulation of three-axial deformation of perfect iron crystal.

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About: Ab initio simulation of three-axial deformation of perfect iron crystal. Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

Attributes	Values
rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Ab initio electronic structure calculations of ideal strength, bulk modulus and equilibrium lattice parameter of iron in the body-centered-cubic lattice under three-axial tension are performed using the linear mu n-tin orbitals method in atomic sphere ap proximation (LMTO-ASA) and the full-potential linearized augmented plane waves method (FLAPW). Magnetic ordering was taken into account by means of spin-polarized calculation. Two exchange-correlation energy approximations were employed, namely the local (spin) den-sity approximation (LDA) and the generalized gradient approximation (GGA). Computed values are compared with experimental data. Ab initio electronic structure calculations of ideal strength, bulk modulus and equilibrium lattice parameter of iron in the body-centered-cubic lattice under three-axial tension are performed using the linear mu n-tin orbitals method in atomic sphere ap proximation (LMTO-ASA) and the full-potential linearized augmented plane waves method (FLAPW). Magnetic ordering was taken into account by means of spin-polarized calculation. Two exchange-correlation energy approximations were employed, namely the local (spin) den-sity approximation (LDA) and the generalized gradient approximation (GGA). Computed values are compared with experimental data. (en)
Title	Ab initio simulation of three-axial deformation of perfect iron crystal. Ab initio simulation of three-axial deformation of perfect iron crystal. (en)
skos:prefLabel	Ab initio simulation of three-axial deformation of perfect iron crystal. Ab initio simulation of three-axial deformation of perfect iron crystal. (en)
skos:notation	RIV/68081723:_____/01:07013186!RIV/2003/AV0/A07003/N
http://linked.open.../vavai/riv/strany	146;150
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA106/99/1178), P(IAA1010817), Z(AV0Z2041904), Z(MSM 262100002)
http://linked.open...vai/riv/dodaniDat	2003
http://linked.open...aciTvurceVysledku	Friák, Martin Šob, Mojmír
http://linked.open.../riv/druhVysledku	D - Článek ve sborníku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav fyziky materiálů AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	672398
http://linked.open...ai/riv/idVysledku	RIV/68081723:_____/01:07013186
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	ab initio calculations; ideal strength; lmto-asa (en)
http://linked.open.../riv/klicoveSlovo	ab initio calculations ideal strength lmto-asa
http://linked.open...ontrolniKodProRIV	[A30E3451ABA5]
http://linked.open...v/mistoKonaniAkce	VUT Brno [CZ]
http://linked.open...i/riv/mistoVydani	Brno
http://linked.open...i/riv/nazevZdroje	Materials structure and micromechanics of fracture Proceedings MSMF-3.
http://linked.open...in/vavai/riv/obor	BK
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...vavai/riv/projekt	Experimental and theoretical studies of grain boundary segregation Stability of crystal structures and lattice defects in intermetallics
http://linked.open...UplatneniVysledku	2001
http://linked.open...iv/tvurceVysledku	Friák, Martin Šob, Mojmír Černý, M. Pokluda, J. Šandera, P.
http://linked.open...vavai/riv/typAkce	WRD - Světová
http://linked.open.../riv/zahajeniAkce	2001-06-27 (xsd:date)
http://linked.open...n/vavai/riv/zamer	Behavior and properties of metallic and non-metallic materials in relation to their structure, research on processes leading to degradation of material quality http://linked.opendata.cz/resource/domain/vavai/zamer/MSM%20262100002
number of pages	5 (xsd:int)
http://purl.org/ne...btex#hasPublisher	Vysoké učení technické v Brně. Nakladatelství VUTIUM
https://schema.org/isbn	80-214-1892-3

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